4-[3-(2-chloranylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chloranylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H18ClN3O3/c23-22-16(12-15-8-4-5-9-17(15)24-22)19-13-18(14-6-2-1-3-7-14)25-26(19)20(27)10-11-21(28)29/h1-9,12,19H,10-11,13H2,(H,28,29)